Synthesis and crystal structure of novel, soluble titanyl phthalocyanines

► Isomerically pure soluble titanyl phthalocyanines are synthesized. ► Bulky equatorial alkyl substituents increase solubility of phthalocyanines. ► First crystal structure of a soluble titanyl phthalocyanine. ► Spectral properties of [R8PcTiO] depend on nature of substituents R. ► Grade of aggregation and thermal stability of phthalocyanines optimized.